diethyl 2-(phenylmethylsulfanyl)propanedioate

Systemtic Name: diethyl 2-(phenylmethylsulfanyl)propanedioate Openeye Name: diethyl 2-benzylsulfanylpropanedioate CAS Name: 2-(phenylmethylthio)propanedioic acid diethyl ester IUPAC Name: diethyl 2-benzylsulfanylpropanedioate Traditional Name: 2-(benzylthio)malonic acid diethyl ester Formula: C14H18O4S MolecularWeight: 282.35532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SCC1=CC=CC=C1

InChI

InChI=1S/C14H18O4S/c1-3-17-13(15)12(14(16)18-4-2)19-10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3